CID 71587088

Sucrose tripalmitate

Structural Information

Molecular Formula
C60H112O14
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCCCC)O)O)COC(=O)CCCCCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C60H112O14/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-51(61)69-46-49-54(64)56(66)57(67)59(72-49)74-60(48-71-53(63)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)58(68)55(65)50(73-60)47-70-52(62)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h49-50,54-59,64-68H,4-48H2,1-3H3/t49-,50-,54-,55-,56+,57-,58+,59-,60+/m1/s1
InChIKey
YAPPOWNJRFZKGC-UWVXNQQFSA-N
Compound name
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-2,5-bis(hexadecanoyloxymethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

1056.8052 Da
Monoisotopic Mass

18.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1057.8125 340.5
[M+Na]+ 1079.7944 335.8
[M+NH4]+ 1074.8390 337.8
[M+K]+ 1095.7684 340.8
[M-H]- 1055.7979 327.2
[M+Na-2H]- 1077.7799 332.9
[M]+ 1056.8047 336.7
[M]- 1056.8057 336.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe